#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 0.52 0.00 3.49 0.00 -1.26 -4.82 119.74 117.67 2k8m s LYS 2 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 55.97 56.97 2k8m s LYS 2 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.25 2k8m s LYS 2 CO 0.00 -0.54 0.00 -0.11 0.00 0.00 0.00 175.35 174.70 2k8m n LEU 3 N 5.42 0.00 0.00 2.77 7.94 -1.24 -4.35 117.00 127.54 2k8m n LEU 3 Ca -0.04 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2k8m n LEU 3 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k8m n LEU 3 CO 0.02 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2k8m n GLY 4 N 0.15 0.45 3.01 -3.96 0.00 -1.26 -3.96 105.19 99.62 2k8m n GLY 4 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2k8m n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m s LYS 5 N 0.00 0.33 -0.10 1.61 1.02 -1.12 -1.15 119.74 120.33 2k8m s LYS 5 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.54 2k8m s LYS 5 Cb 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2k8m s LYS 5 CO 0.00 -0.06 -0.21 -1.17 -0.92 0.00 0.00 175.35 172.98 2k8m s LEU 6 N -1.30 2.00 -0.15 3.17 0.20 0.61 -1.66 118.68 121.55 2k8m s LEU 6 Ca -0.14 -0.51 -0.16 0.00 0.69 0.00 0.00 54.13 54.00 2k8m s LEU 6 Cb -0.08 -1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2k8m s LEU 6 CO -0.00 0.13 0.41 -1.10 -0.29 0.00 0.00 176.35 175.49 2k8m s GLN 7 N 0.46 4.29 0.11 1.98 -1.52 -0.16 -0.76 119.66 124.05 2k8m s GLN 7 Ca -0.17 0.30 -0.14 0.00 -1.95 0.00 0.00 55.36 53.40 2k8m s GLN 7 Cb -0.17 -3.45 0.02 0.00 -0.22 0.00 0.00 33.01 29.19 2k8m s GLN 7 CO 0.07 0.15 0.33 1.52 -0.25 0.00 0.00 175.29 177.11 2k8m s TYR 8 N 0.70 -0.09 -0.15 0.91 1.13 -1.16 -0.15 117.35 118.53 2k8m s TYR 8 Ca 0.22 -0.24 -0.02 0.00 -1.41 0.00 0.00 57.07 55.63 2k8m s TYR 8 Cb -0.14 0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 2k8m s TYR 8 CO 0.08 -0.64 -0.00 -1.12 -2.51 0.00 0.00 175.55 171.36 2k8m s SER 9 N -2.74 2.56 -0.16 -0.18 0.01 0.08 -2.72 113.70 110.55 2k8m s SER 9 Ca 0.03 -0.59 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 2k8m s SER 9 Cb 0.02 -0.67 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 2k8m s SER 9 CO -0.11 -0.24 0.32 -0.76 0.41 0.00 0.00 173.24 172.86 2k8m s LEU 10 N 1.81 4.24 0.08 2.44 1.43 -0.25 -2.31 118.68 126.13 2k8m s LEU 10 Ca 0.01 0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.76 2k8m s LEU 10 Cb -0.15 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2k8m s LEU 10 CO -0.07 0.08 -0.25 -0.62 0.23 0.00 0.00 176.35 175.71 2k8m s ASP 11 N 0.51 3.09 -0.04 2.29 2.15 -0.50 0.08 116.67 124.25 2k8m s ASP 11 Ca 0.18 -0.66 0.05 0.00 0.43 0.00 0.00 52.55 52.56 2k8m s ASP 11 Cb -0.13 -0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.23 2k8m s ASP 11 CO 0.05 0.20 -0.20 -0.72 -0.17 0.00 0.00 175.17 174.32 2k8m s TYR 12 N -0.94 2.53 0.04 -5.34 1.13 -1.25 0.12 117.35 113.65 2k8m s TYR 12 Ca 0.12 -0.36 0.05 0.00 -1.41 0.00 0.00 57.07 55.46 2k8m s TYR 12 Cb -0.10 -1.59 -0.02 0.00 -1.10 0.00 0.00 41.96 39.15 2k8m s TYR 12 CO 0.04 0.03 -0.15 0.34 -2.51 0.00 0.00 175.55 173.30 2k8m s ASP 13 N -0.55 1.75 0.00 -0.18 -1.08 -0.92 -4.95 116.67 110.74 2k8m s ASP 13 Ca 0.08 -0.48 0.03 0.00 -0.52 0.00 0.00 52.55 51.66 2k8m s ASP 13 Cb -0.11 -0.11 -0.00 0.00 -1.46 0.00 0.00 42.92 41.23 2k8m s ASP 13 CO 0.01 0.04 0.35 2.22 0.52 0.00 0.00 175.17 178.30 2k8m n PHE 14 N 1.83 0.00 0.07 -5.34 1.16 -1.26 -2.90 117.46 111.03 2k8m n PHE 14 Ca -0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.32 2k8m n PHE 14 Cb 0.54 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.31 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k8m h GLN 15 N 0.30 0.05 -0.00 3.97 3.07 -1.95 -3.32 115.11 117.23 2k8m h GLN 15 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2k8m h GLN 15 Cb 0.10 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2k8m h GLN 15 CO 0.00 1.02 -0.00 0.27 0.09 0.00 0.00 178.83 180.20 2k8m n ASN 16 N -3.41 1.09 -3.15 0.06 0.23 -1.26 -5.05 115.26 103.77 2k8m n ASN 16 Ca -0.02 -1.05 -0.15 0.00 -0.53 0.00 0.00 54.58 52.84 2k8m n ASN 16 Cb 0.94 0.05 0.01 0.00 -2.08 0.00 0.00 39.78 38.70 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N 0.04 -7.05 -3.57 0.53 2.85 -1.25 -4.91 115.26 101.90 2k8m n ASN 17 Ca 0.01 0.08 -0.06 0.00 -0.11 0.00 0.00 54.58 54.51 2k8m n ASN 17 Cb 0.04 -4.15 -0.02 0.00 1.24 0.00 0.00 39.78 36.89 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -2.92 0.68 -0.20 1.20 1.03 -1.14 -3.15 119.66 115.16 2k8m s GLN 18 Ca 0.20 -0.29 -0.05 0.00 0.04 0.00 0.00 55.36 55.26 2k8m s GLN 18 Cb -0.04 0.29 -0.03 0.00 0.03 0.00 0.00 33.01 33.26 2k8m s GLN 18 CO 0.80 -0.30 0.01 -0.51 -2.54 0.00 0.00 175.29 172.75 2k8m s LEU 19 N -2.50 3.34 -0.78 2.60 1.43 -0.88 -2.16 118.68 119.74 2k8m s LEU 19 Ca 0.08 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 2k8m s LEU 19 Cb -0.01 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.42 2k8m s LEU 19 CO -0.06 0.07 1.21 -0.22 0.23 0.00 0.00 176.35 177.58 2k8m s LEU 20 N 0.96 3.70 -0.66 1.79 1.98 0.12 -1.32 118.68 125.25 2k8m s LEU 20 Ca 0.02 -0.89 -0.23 0.00 -2.89 0.00 0.00 54.13 50.15 2k8m s LEU 20 Cb -0.14 -2.51 0.07 0.00 0.66 0.00 0.00 46.19 44.27 2k8m s LEU 20 CO 0.02 -1.62 0.97 -0.69 -1.89 0.00 0.00 176.35 173.14 2k8m s VAL 21 N 4.92 4.32 -0.47 1.68 1.01 -0.49 -1.41 120.40 129.96 2k8m s VAL 21 Ca 0.33 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 2k8m s VAL 21 Cb -0.09 -4.69 0.11 0.00 0.00 0.00 0.00 36.38 31.72 2k8m s VAL 21 CO 0.08 -1.46 0.34 -0.83 0.00 0.00 0.00 175.10 173.23 2k8m s GLY 22 N 3.68 2.03 -0.03 4.51 0.00 -0.98 -1.14 107.32 115.39 2k8m s GLY 22 Ca 0.22 -2.47 -0.24 0.00 0.00 0.00 0.00 44.72 42.23 2k8m s GLY 22 CO 0.10 1.09 0.73 -0.26 0.00 0.00 0.00 173.10 174.76 2k8m s ILE 23 N 1.39 4.96 -0.07 0.90 -0.00 -1.21 -0.74 121.20 126.42 2k8m s ILE 23 Ca 0.05 1.51 -0.01 0.00 -0.00 0.00 0.00 60.65 62.20 2k8m s ILE 23 Cb -0.26 -4.07 -0.00 0.00 -0.00 0.00 0.00 42.46 38.13 2k8m s ILE 23 CO 0.00 0.28 -0.03 0.40 -0.00 0.00 0.00 174.94 175.60 2k8m h ILE 24 N 4.58 0.00 -2.46 8.37 2.04 -0.89 -3.29 117.51 125.85 2k8m h ILE 24 Ca -0.42 -0.63 0.12 0.00 1.00 0.00 0.00 64.86 64.93 2k8m h ILE 24 Cb 1.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 2k8m h ILE 24 CO 0.74 0.00 0.43 0.00 0.00 0.00 0.00 178.15 179.32 2k8m s GLN 25 N -1.45 1.11 0.04 2.37 -2.07 -1.15 -3.17 119.66 115.35 2k8m s GLN 25 Ca -0.02 -0.52 0.08 0.00 -1.82 0.00 0.00 55.36 53.07 2k8m s GLN 25 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 2k8m s GLN 25 CO 0.03 -0.50 -0.22 0.00 -1.32 0.00 0.00 175.29 173.28 2k8m s ALA 26 N -3.34 1.87 0.16 2.60 0.00 -1.21 -0.99 121.76 120.85 2k8m s ALA 26 Ca 0.08 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2k8m s ALA 26 Cb -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2k8m s ALA 26 CO -0.04 0.43 -0.11 0.00 0.00 0.00 0.00 175.76 176.04 2k8m s ALA 27 N -0.78 1.58 -1.24 0.00 0.00 -0.67 -3.62 121.76 117.04 2k8m s ALA 27 Ca 0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 2k8m s ALA 27 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2k8m s ALA 27 CO 0.02 -0.05 0.34 0.39 0.00 0.00 0.00 175.76 176.46 2k8m n GLU 28 N -0.19 -3.08 -2.55 0.00 -0.58 -1.25 -2.81 120.64 110.18 2k8m n GLU 28 Ca -0.10 0.72 -0.42 0.00 -0.42 0.00 0.00 57.16 56.94 2k8m n GLU 28 Cb 0.60 -5.12 -0.03 0.00 -0.57 0.00 0.00 31.44 26.32 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k8m s LEU 29 N -5.03 4.35 0.71 -4.62 1.43 -1.25 -4.04 118.68 110.24 2k8m s LEU 29 Ca 0.17 1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 54.94 2k8m s LEU 29 Cb -0.07 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.60 2k8m s LEU 29 CO 0.21 -0.41 1.25 -2.84 0.23 0.00 0.00 176.35 174.79 2k8m s PRO 30 N 1.25 2.19 0.03 1.29 0.02 -1.26 -4.87 135.00 133.65 2k8m s PRO 30 Ca 0.55 1.90 -0.22 0.00 0.02 0.00 0.00 61.00 63.26 2k8m s PRO 30 Cb -0.25 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 2k8m s PRO 30 CO 0.27 -1.83 0.64 0.00 -0.33 0.00 0.00 177.00 175.75 2k8m s ALA 31 N -1.76 3.47 0.00 -1.55 0.00 -1.26 -4.74 121.76 115.93 2k8m s ALA 31 Ca 0.78 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2k8m s ALA 31 Cb -0.33 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2k8m s ALA 31 CO 0.44 0.19 0.00 -0.11 0.00 0.00 0.00 175.76 176.28 2k8m n LEU 32 N 2.49 2.24 -4.80 0.00 -0.00 -1.09 -4.93 117.00 110.90 2k8m n LEU 32 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.61 2k8m n LEU 32 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 2k8m n LEU 32 CO 0.44 0.37 0.71 -0.62 -0.00 0.00 0.00 177.39 178.29 2k8m s ASP 33 N -3.71 6.27 -0.70 1.96 2.15 0.78 -4.93 116.67 118.49 2k8m s ASP 33 Ca 0.00 1.85 -0.26 0.00 0.43 0.00 0.00 52.55 54.57 2k8m s ASP 33 Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2k8m s ASP 33 CO 0.00 -0.83 1.74 -0.32 -0.17 0.00 0.00 175.17 175.59 2k8m s MET 34 N -3.52 2.78 0.00 4.34 -2.45 -1.26 -2.80 119.30 116.38 2k8m s MET 34 Ca 0.65 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 55.32 2k8m s MET 34 Cb -0.15 -4.49 0.00 0.00 1.25 0.00 0.00 34.83 31.44 2k8m s MET 34 CO 0.25 -2.68 0.00 0.41 1.05 0.00 0.00 175.02 174.04 2k8m n GLY 35 N 5.86 0.10 0.00 2.11 0.00 -1.26 -4.91 105.19 107.09 2k8m n GLY 35 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k8m n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 36 N 0.00 1.01 3.33 -0.02 0.00 -1.12 -5.09 105.19 103.29 2k8m n GLY 36 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2k8m n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8m s THR 37 N -2.00 0.17 0.25 2.61 -4.23 -1.25 -4.79 115.64 106.39 2k8m s THR 37 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2k8m s THR 37 Cb 0.00 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 2k8m s THR 37 CO 0.00 0.00 0.47 -0.44 -0.54 0.00 0.00 174.62 174.11 2k8m s SER 38 N -3.39 -0.07 -0.74 3.99 0.01 -1.26 -0.16 113.70 112.08 2k8m s SER 38 Ca 0.36 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.71 2k8m s SER 38 Cb 0.03 0.58 0.24 0.00 0.21 0.00 0.00 66.02 67.08 2k8m s SER 38 CO 0.22 -1.13 0.80 0.47 0.41 0.00 0.00 173.24 174.00 2k8m n ASP 39 N -0.39 4.02 -4.63 2.44 9.92 -1.26 -1.02 116.55 125.62 2k8m n ASP 39 Ca -0.01 -3.36 -0.41 0.00 -0.53 0.00 0.00 54.79 50.47 2k8m n ASP 39 Cb 0.62 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k8m s PRO 40 N -2.20 4.15 -0.04 -0.24 0.04 -1.23 -0.86 135.00 134.61 2k8m s PRO 40 Ca 0.35 0.69 0.03 0.00 0.04 0.00 0.00 61.00 62.11 2k8m s PRO 40 Cb 0.07 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2k8m s PRO 40 CO -0.04 -0.43 -0.14 1.52 0.04 0.00 0.00 177.00 177.95 2k8m s TYR 41 N 2.57 1.43 0.02 0.56 1.13 0.11 -4.02 117.35 119.14 2k8m s TYR 41 Ca 0.29 -0.42 -0.20 0.00 -1.41 0.00 0.00 57.07 55.33 2k8m s TYR 41 Cb -0.15 -0.99 -0.06 0.00 -1.10 0.00 0.00 41.96 39.66 2k8m s TYR 41 CO 0.08 -0.16 0.59 0.14 -2.51 0.00 0.00 175.55 173.69 2k8m s VAL 42 N 0.19 4.85 -0.00 -3.49 -7.23 -1.26 -0.30 120.40 113.15 2k8m s VAL 42 Ca -0.05 1.26 0.05 0.00 -1.81 0.00 0.00 61.98 61.42 2k8m s VAL 42 Cb -0.11 -3.93 -0.01 0.00 0.56 0.00 0.00 36.38 32.88 2k8m s VAL 42 CO 0.02 0.46 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.51 2k8m s LYS 43 N -0.46 1.28 0.10 4.82 -2.85 0.40 -2.33 119.74 120.70 2k8m s LYS 43 Ca 0.31 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.36 2k8m s LYS 43 Cb -0.19 -1.25 -0.06 0.00 -2.06 0.00 0.00 37.83 34.27 2k8m s LYS 43 CO 0.18 0.34 0.97 0.14 0.10 0.00 0.00 175.35 177.08 2k8m s VAL 44 N -0.45 4.52 -0.25 1.79 -7.23 -1.05 -1.67 120.40 116.07 2k8m s VAL 44 Ca 0.06 2.06 0.02 0.00 -1.81 0.00 0.00 61.98 62.31 2k8m s VAL 44 Cb -0.07 -4.32 0.05 0.00 0.56 0.00 0.00 36.38 32.61 2k8m s VAL 44 CO -0.00 0.30 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.62 2k8m s PHE 45 N 0.08 3.17 0.27 2.82 0.08 0.15 -4.72 117.98 119.83 2k8m s PHE 45 Ca 0.47 -2.12 0.05 0.00 0.12 0.00 0.00 56.93 55.45 2k8m s PHE 45 Cb -0.23 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2k8m s PHE 45 CO 0.30 -0.85 0.41 -0.51 -0.10 0.00 0.00 175.22 174.47 2k8m s LEU 46 N 1.16 4.21 0.00 -0.37 2.01 -1.26 -1.96 118.68 122.47 2k8m s LEU 46 Ca -0.06 0.08 -0.01 0.00 0.01 0.00 0.00 54.13 54.15 2k8m s LEU 46 Cb -0.19 -2.91 0.02 0.00 0.01 0.00 0.00 46.19 43.12 2k8m s LEU 46 CO -0.06 -0.17 0.09 0.00 1.01 0.00 0.00 176.35 177.21 2k8m n LEU 47 N -1.51 0.00 0.13 1.79 -0.00 -1.26 -4.69 117.00 111.45 2k8m n LEU 47 Ca -0.07 -0.09 0.14 0.00 -0.00 0.00 0.00 56.01 55.99 2k8m n LEU 47 Cb 0.57 -0.07 0.35 0.00 -0.00 0.00 0.00 43.42 44.27 2k8m n LEU 47 CO 0.45 -0.85 1.12 -0.65 -0.00 0.00 0.00 177.39 177.47 2k8m h PRO 48 N 0.00 0.00 0.28 1.47 0.11 -2.00 -1.52 132.00 130.35 2k8m h PRO 48 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k8m h PRO 48 Cb 0.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 2k8m h PRO 48 CO 0.02 0.00 -0.46 0.22 -0.21 0.00 0.00 178.00 177.57 2k8m h ASP 49 N 0.00 -1.33 -4.82 -2.05 3.58 -1.97 -3.45 116.42 106.38 2k8m h ASP 49 Ca 0.18 0.12 -0.25 0.00 0.42 0.00 0.00 57.03 57.51 2k8m h ASP 49 Cb 1.99 0.46 -0.05 0.00 1.72 0.00 0.00 39.33 43.45 2k8m h ASP 49 CO -0.00 -0.55 -0.35 0.29 -2.88 0.00 0.00 179.24 175.75 2k8m n LYS 50 N -5.14 -2.73 -0.90 0.28 4.76 -0.57 -4.82 118.16 109.03 2k8m n LYS 50 Ca -0.09 0.39 -0.17 0.00 -2.87 0.00 0.00 58.31 55.56 2k8m n LYS 50 Cb 0.39 -5.00 0.04 0.00 -1.84 0.00 0.00 35.03 28.62 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -3.10 1.84 0.00 1.97 5.02 -1.26 -4.80 118.16 117.82 2k8m n LYS 51 Ca -0.05 -1.65 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 2k8m n LYS 51 Cb 0.55 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2k8m n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k8m n LYS 52 N 0.23 0.00 -3.33 1.97 2.85 -1.26 -4.78 118.16 113.83 2k8m n LYS 52 Ca 0.32 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.49 2k8m n LYS 52 Cb 0.62 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.93 2k8m n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k8m s LYS 53 N -1.25 0.37 0.00 -1.58 2.20 -1.26 -4.82 119.74 113.41 2k8m s LYS 53 Ca 0.00 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 2k8m s LYS 53 Cb 0.00 -0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 35.90 2k8m s LYS 53 CO 0.00 -0.79 -0.17 0.12 -0.36 0.00 0.00 175.35 174.15 2k8m s PHE 54 N 2.55 1.53 0.01 4.03 5.36 -1.26 -5.07 117.98 125.12 2k8m s PHE 54 Ca 0.12 -0.31 0.05 0.00 -0.96 0.00 0.00 56.93 55.83 2k8m s PHE 54 Cb -0.14 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.56 2k8m s PHE 54 CO -0.21 0.00 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.38 2k8m s GLU 55 N -0.61 1.20 0.85 10.12 2.12 -1.26 -2.52 118.70 128.59 2k8m s GLU 55 Ca 0.06 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 54.63 2k8m s GLU 55 Cb -0.07 -1.20 0.18 0.00 0.26 0.00 0.00 34.13 33.29 2k8m s GLU 55 CO -0.00 0.32 1.16 0.95 -0.54 0.00 0.00 175.26 177.15 2k8m s THR 56 N -0.57 2.02 0.13 -1.70 -4.23 -0.98 -5.05 115.64 105.26 2k8m s THR 56 Ca 0.05 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 2k8m s THR 56 Cb -0.07 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 2k8m s THR 56 CO 0.00 0.00 0.97 -0.75 -0.54 0.00 0.00 174.62 174.30 2k8m s LYS 57 N -5.51 4.71 -0.07 3.99 2.20 -1.26 -4.88 119.74 118.92 2k8m s LYS 57 Ca 0.71 1.47 -0.29 0.00 -0.36 0.00 0.00 55.97 57.50 2k8m s LYS 57 Cb -0.04 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.86 2k8m s LYS 57 CO 0.49 0.25 1.99 0.54 -0.36 0.00 0.00 175.35 178.25 2k8m s VAL 58 N -0.17 3.12 -1.08 4.02 0.11 -1.26 -4.77 120.40 120.36 2k8m s VAL 58 Ca 0.46 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 2k8m s VAL 58 Cb -0.24 -3.11 0.20 0.00 -1.53 0.00 0.00 36.38 31.71 2k8m s VAL 58 CO 0.30 -0.03 1.19 -1.00 -3.33 0.00 0.00 175.10 172.23 2k8m s HIS 59 N 5.62 3.72 0.26 1.54 0.09 -1.26 -5.02 115.29 120.25 2k8m s HIS 59 Ca 0.89 -2.17 -0.30 0.00 -0.00 0.00 0.00 55.06 53.48 2k8m s HIS 59 Cb -0.38 -4.09 -0.10 0.00 -0.00 0.00 0.00 32.58 28.01 2k8m s HIS 59 CO 0.38 -1.22 1.47 -0.98 -0.00 0.00 0.00 174.74 174.40 2k8m s ARG 60 N 0.67 4.23 -0.49 1.40 1.04 -1.26 -3.46 118.95 121.07 2k8m s ARG 60 Ca 0.34 2.37 -0.29 0.00 -1.04 0.00 0.00 55.73 57.11 2k8m s ARG 60 Cb -0.06 -3.08 0.04 0.00 -2.04 0.00 0.00 34.95 29.80 2k8m s ARG 60 CO -0.05 -0.47 0.65 1.63 -0.04 0.00 0.00 175.30 177.02 2k8m n LYS 61 N 2.21 -1.98 -3.56 3.89 4.76 -0.87 -4.94 118.16 117.66 2k8m n LYS 61 Ca 0.07 1.52 -0.14 0.00 -2.87 0.00 0.00 58.31 56.89 2k8m n LYS 61 Cb 0.40 -3.04 -0.06 0.00 -1.84 0.00 0.00 35.03 30.49 2k8m n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k8m s THR 62 N -1.94 0.00 -0.56 -0.18 -1.32 -0.19 -4.88 115.64 106.57 2k8m s THR 62 Ca 0.30 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.86 2k8m s THR 62 Cb -0.04 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 2k8m s THR 62 CO 0.85 0.00 1.17 0.18 -2.21 0.00 0.00 174.62 174.61 2k8m n LEU 63 N 1.18 2.64 -2.94 9.08 4.77 -1.26 -4.05 117.00 126.41 2k8m n LEU 63 Ca -0.15 -2.07 -0.12 0.00 -0.03 0.00 0.00 56.01 53.65 2k8m n LEU 63 Cb 0.57 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2k8m n LEU 63 CO 0.17 0.65 -0.00 -3.20 -1.33 0.00 0.00 177.39 173.67 2k8m n ASN 64 N 0.08 -2.42 -4.61 -1.43 5.15 -1.26 -3.76 115.26 107.01 2k8m n ASN 64 Ca 0.08 -2.83 -0.43 0.00 -0.60 0.00 0.00 54.58 50.81 2k8m n ASN 64 Cb 0.39 1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 40.66 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2k8m s PRO 65 N 0.51 3.34 -0.35 1.20 0.02 -1.24 -4.87 135.00 133.61 2k8m s PRO 65 Ca 0.31 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.27 2k8m s PRO 65 Cb 0.05 -4.28 0.10 0.00 0.02 0.00 0.00 34.50 30.39 2k8m s PRO 65 CO -0.12 -1.86 0.09 0.14 -0.33 0.00 0.00 177.00 174.91 2k8m s VAL 66 N 7.32 2.64 0.00 3.83 -7.23 -1.26 -3.34 120.40 122.37 2k8m s VAL 66 Ca 0.92 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2k8m s VAL 66 Cb -0.31 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2k8m s VAL 66 CO 0.35 -0.56 0.00 0.33 -0.31 0.00 0.00 175.10 174.91 2k8m n PHE 67 N 4.40 0.00 -2.97 2.82 7.35 -1.25 -5.07 117.46 122.73 2k8m n PHE 67 Ca -0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.56 2k8m n PHE 67 Cb 0.42 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.31 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k8m n ASN 68 N -1.08 -3.50 -4.75 -2.13 5.15 -1.19 -4.99 115.26 102.76 2k8m n ASN 68 Ca 0.00 -0.50 -0.33 0.00 -0.60 0.00 0.00 54.58 53.15 2k8m n ASN 68 Cb 0.00 -4.03 0.06 0.00 -0.53 0.00 0.00 39.78 35.28 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -4.62 2.54 -0.22 1.20 8.01 -1.24 -4.79 118.70 119.59 2k8m s GLU 69 Ca 0.15 1.52 -0.06 0.00 0.01 0.00 0.00 54.97 56.59 2k8m s GLU 69 Cb -0.02 -1.91 -0.02 0.00 -4.31 0.00 0.00 34.13 27.87 2k8m s GLU 69 CO 0.56 -1.47 0.02 -1.14 0.01 0.00 0.00 175.26 173.23 2k8m s GLN 70 N -4.03 3.61 -0.24 1.61 -0.44 -1.26 -3.36 119.66 115.55 2k8m s GLN 70 Ca 0.69 -0.51 -0.07 0.00 -2.50 0.00 0.00 55.36 52.97 2k8m s GLN 70 Cb -0.23 -3.15 -0.03 0.00 -1.64 0.00 0.00 33.01 27.95 2k8m s GLN 70 CO 0.43 -0.07 0.07 0.12 0.50 0.00 0.00 175.29 176.34 2k8m s PHE 71 N 1.23 3.09 -0.68 1.67 5.36 -0.29 -4.99 117.98 123.37 2k8m s PHE 71 Ca 0.04 -0.41 -0.23 0.00 -0.96 0.00 0.00 56.93 55.37 2k8m s PHE 71 Cb -0.15 -2.22 0.07 0.00 -0.34 0.00 0.00 43.02 40.38 2k8m s PHE 71 CO 0.02 -0.33 1.01 0.99 -1.46 0.00 0.00 175.22 175.45 2k8m s THR 72 N 1.52 4.24 -1.25 0.12 2.01 -1.26 -1.39 115.64 119.63 2k8m s THR 72 Ca 0.06 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 2k8m s THR 72 Cb -0.15 -4.72 -0.00 0.00 0.01 0.00 0.00 72.50 67.64 2k8m s THR 72 CO 0.03 -1.52 1.95 0.33 -0.69 0.00 0.00 174.62 174.72 2k8m n PHE 73 N 7.94 3.58 -1.67 4.92 7.35 -0.43 -4.91 117.46 134.24 2k8m n PHE 73 Ca -0.02 -2.49 -0.37 0.00 -0.76 0.00 0.00 57.45 53.80 2k8m n PHE 73 Cb 0.46 -2.47 -0.03 0.00 0.35 0.00 0.00 39.48 37.79 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k8m s LYS 74 N 4.41 2.32 -0.29 -4.13 -0.14 -1.26 -2.07 119.74 118.57 2k8m s LYS 74 Ca 0.55 1.31 -0.21 0.00 -1.36 0.00 0.00 55.97 56.26 2k8m s LYS 74 Cb 0.08 -4.52 0.18 0.00 -1.68 0.00 0.00 37.83 31.89 2k8m s LYS 74 CO 0.04 -3.04 1.26 0.54 -0.76 0.00 0.00 175.35 173.40 2k8m s VAL 75 N 11.14 0.00 0.52 3.17 0.11 -1.19 -4.78 120.40 129.37 2k8m s VAL 75 Ca 0.91 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.74 2k8m s VAL 75 Cb -0.18 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 2k8m s VAL 75 CO 0.26 0.00 1.37 -2.65 -3.33 0.00 0.00 175.10 170.75 2k8m n PRO 76 N 2.46 1.81 0.33 1.54 -0.02 -1.26 -3.57 135.00 136.29 2k8m n PRO 76 Ca -0.14 0.66 0.21 0.00 -2.02 0.00 0.00 63.50 62.21 2k8m n PRO 76 Cb 0.57 -2.58 1.12 0.00 -0.02 0.00 0.00 33.50 32.59 2k8m n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k8m h TYR 77 N 1.63 0.00 0.00 6.00 -0.00 -1.90 0.12 116.97 122.81 2k8m h TYR 77 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 2k8m h TYR 77 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.03 2k8m h TYR 77 CO 0.46 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 179.06 2k8m n SER 78 N -3.28 0.09 -0.87 0.10 7.64 -1.26 -2.55 113.62 113.49 2k8m n SER 78 Ca -0.03 0.51 0.11 0.00 1.01 0.00 0.00 58.87 60.47 2k8m n SER 78 Cb 0.09 -0.53 0.09 0.00 -1.01 0.00 0.00 64.21 62.85 2k8m n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k8m n GLU 79 N -1.58 2.00 0.24 1.43 1.02 0.41 -4.34 120.64 119.80 2k8m n GLU 79 Ca 0.06 -1.80 0.07 0.00 -0.02 0.00 0.00 57.16 55.47 2k8m n GLU 79 Cb 0.31 -1.41 0.56 0.00 -0.02 0.00 0.00 31.44 30.87 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 4.20 0.00 0.00 -4.62 5.85 -1.48 -1.92 115.31 117.34 2k8m h LEU 80 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k8m h LEU 80 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k8m h LEU 80 CO 0.00 0.15 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 2k8m n GLY 81 N -1.04 -0.78 1.66 3.75 0.00 -1.26 -3.12 105.19 104.39 2k8m n GLY 81 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.91 2k8m n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 82 N 0.19 1.07 2.69 -0.02 0.00 -0.74 -4.71 105.19 103.67 2k8m n GLY 82 Ca 0.10 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -0.56 0.52 -0.25 1.61 2.47 -1.08 -5.05 119.74 117.40 2k8m s LYS 83 Ca 0.26 -0.51 -0.07 0.00 -1.56 0.00 0.00 55.97 54.08 2k8m s LYS 83 Cb 0.31 -1.92 -0.02 0.00 -1.46 0.00 0.00 37.83 34.74 2k8m s LYS 83 CO -0.12 -0.76 0.05 0.99 0.16 0.00 0.00 175.35 175.67 2k8m s THR 84 N 1.88 4.16 0.15 3.43 2.01 -1.26 -3.97 115.64 122.04 2k8m s THR 84 Ca 0.03 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2k8m s THR 84 Cb -0.17 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 2k8m s THR 84 CO -0.15 0.34 0.40 -1.48 -0.69 0.00 0.00 174.62 173.04 2k8m s LEU 85 N 1.59 4.26 -0.05 4.42 0.05 -1.25 -4.24 118.68 123.45 2k8m s LEU 85 Ca 0.06 0.66 0.02 0.00 0.05 0.00 0.00 54.13 54.92 2k8m s LEU 85 Cb -0.15 -3.32 0.01 0.00 -2.05 0.00 0.00 46.19 40.68 2k8m s LEU 85 CO 0.03 0.05 -0.10 -0.69 -0.55 0.00 0.00 176.35 175.08 2k8m s VAL 86 N -1.65 0.96 -0.31 1.48 1.01 -0.83 -2.90 120.40 118.17 2k8m s VAL 86 Ca 0.41 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 2k8m s VAL 86 Cb -0.12 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.40 2k8m s VAL 86 CO 0.23 0.31 0.04 -0.32 0.00 0.00 0.00 175.10 175.36 2k8m s MET 87 N 0.63 2.63 -0.11 2.72 0.00 -0.28 0.32 119.30 125.20 2k8m s MET 87 Ca -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 55.69 54.38 2k8m s MET 87 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 34.83 31.38 2k8m s MET 87 CO 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 175.02 174.49 2k8m s ALA 88 N 1.34 3.40 -0.25 4.11 0.00 -0.67 -1.81 121.76 127.88 2k8m s ALA 88 Ca -0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 2k8m s ALA 88 Cb -0.19 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2k8m s ALA 88 CO 0.00 0.51 0.32 0.54 0.00 0.00 0.00 175.76 177.14 2k8m s VAL 89 N -0.64 5.22 0.06 0.00 0.11 0.45 -0.46 120.40 125.14 2k8m s VAL 89 Ca 0.11 0.49 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2k8m s VAL 89 Cb -0.12 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2k8m s VAL 89 CO 0.02 0.21 0.01 -0.47 -3.33 0.00 0.00 175.10 171.54 2k8m s TYR 90 N 1.74 3.03 0.26 1.54 5.04 0.59 -1.47 117.35 128.09 2k8m s TYR 90 Ca 0.14 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.83 2k8m s TYR 90 Cb -0.15 -1.59 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 2k8m s TYR 90 CO 0.09 0.47 0.40 0.34 -1.34 0.00 0.00 175.55 175.51 2k8m s ASP 91 N -2.04 6.30 -0.35 4.32 2.15 -1.25 0.05 116.67 125.84 2k8m s ASP 91 Ca 0.24 0.12 0.15 0.00 0.43 0.00 0.00 52.55 53.49 2k8m s ASP 91 Cb -0.12 -1.86 0.41 0.00 -0.30 0.00 0.00 42.92 41.05 2k8m s ASP 91 CO 0.16 -0.12 0.90 0.33 -0.17 0.00 0.00 175.17 176.26 2k8m n PHE 92 N -1.48 0.39 0.21 -5.34 7.35 -0.04 -4.80 117.46 113.75 2k8m n PHE 92 Ca -0.08 -3.10 0.12 0.00 -0.76 0.00 0.00 57.45 53.63 2k8m n PHE 92 Cb 0.57 -0.19 0.62 0.00 0.35 0.00 0.00 39.48 40.83 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.94 0.00 -0.96 -2.13 2.03 -1.88 -3.44 116.42 112.98 2k8m h ASP 93 Ca -0.04 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.02 2k8m h ASP 93 Cb 1.11 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.54 2k8m h ASP 93 CO 0.45 0.00 -0.25 0.54 -1.03 0.00 0.00 179.24 178.95 2k8m n ARG 94 N -2.38 -0.87 0.00 4.15 3.00 -1.26 -4.77 116.66 114.53 2k8m n ARG 94 Ca -0.02 0.80 0.00 0.00 -0.01 0.00 0.00 57.85 58.62 2k8m n ARG 94 Cb 0.19 -4.86 0.00 0.00 0.00 0.00 0.00 32.46 27.79 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k8m n PHE 95 N -3.13 -0.63 -1.31 -1.55 7.35 -1.26 -5.12 117.46 111.80 2k8m n PHE 95 Ca -0.13 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.26 2k8m n PHE 95 Cb 0.47 0.42 0.11 0.00 0.35 0.00 0.00 39.48 40.83 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -2.42 4.02 -1.36 -2.13 0.01 -1.26 -4.87 113.70 105.69 2k8m s SER 96 Ca 0.00 1.53 -0.16 0.00 1.31 0.00 0.00 55.95 58.63 2k8m s SER 96 Cb 0.00 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.01 2k8m s SER 96 CO 0.00 -2.30 2.13 0.29 0.41 0.00 0.00 173.24 173.77 2k8m n LYS 97 N -3.67 2.73 -1.60 12.44 4.76 -1.26 -4.83 118.16 126.73 2k8m n LYS 97 Ca 0.07 -2.61 -0.57 0.00 -2.87 0.00 0.00 58.31 52.33 2k8m n LYS 97 Cb 0.55 -3.29 -0.07 0.00 -1.84 0.00 0.00 35.03 30.38 2k8m n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k8m n HIS 98 N 6.71 1.36 -3.73 2.13 1.44 -1.26 -4.98 115.22 116.89 2k8m n HIS 98 Ca 0.51 0.81 -0.24 0.00 -2.01 0.00 0.00 57.72 56.80 2k8m n HIS 98 Cb 0.40 -2.27 -0.02 0.00 0.12 0.00 0.00 29.99 28.23 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N 1.15 4.79 -0.01 4.39 2.15 -1.26 -4.82 116.67 123.07 2k8m s ASP 99 Ca 0.91 -1.02 -0.30 0.00 0.43 0.00 0.00 52.55 52.57 2k8m s ASP 99 Cb -1.14 -0.05 -0.06 0.00 -0.30 0.00 0.00 42.92 41.38 2k8m s ASP 99 CO 0.57 -0.90 1.53 -0.63 -0.17 0.00 0.00 175.17 175.58 2k8m s ILE 100 N -2.64 3.55 -0.01 4.11 1.01 -1.26 -3.89 121.20 122.07 2k8m s ILE 100 Ca 0.42 0.86 0.15 0.00 0.00 0.00 0.00 60.65 62.07 2k8m s ILE 100 Cb -0.02 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.93 2k8m s ILE 100 CO 0.25 -0.03 1.50 0.40 0.00 0.00 0.00 174.94 177.06 2k8m h ILE 101 N 5.15 1.02 0.00 2.92 1.08 -1.60 -3.46 117.51 122.63 2k8m h ILE 101 Ca -0.39 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 61.87 2k8m h ILE 101 Cb 1.18 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 2k8m h ILE 101 CO 0.93 0.54 0.00 0.61 -0.69 0.00 0.00 178.15 179.54 2k8m n GLY 102 N 0.94 -2.14 3.06 5.37 0.00 -1.24 -4.38 105.19 106.79 2k8m n GLY 102 Ca 0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.79 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8m n GLU 103 N -0.56 0.75 -3.69 1.61 0.28 0.01 -0.41 120.64 118.63 2k8m n GLU 103 Ca 0.00 -1.54 -0.13 0.00 -0.16 0.00 0.00 57.16 55.32 2k8m n GLU 103 Cb 0.00 1.98 -0.09 0.00 1.43 0.00 0.00 31.44 34.76 2k8m n GLU 103 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8m s PHE 104 N -3.24 -0.60 -0.00 -1.84 -0.12 -0.75 -2.50 117.98 108.93 2k8m s PHE 104 Ca 0.15 1.45 0.05 0.00 -0.05 0.00 0.00 56.93 58.52 2k8m s PHE 104 Cb -0.03 0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 2k8m s PHE 104 CO 0.07 -0.29 -0.14 -1.59 -0.05 0.00 0.00 175.22 173.22 2k8m s LYS 105 N 0.34 1.13 -0.06 1.99 0.00 -1.26 -1.13 119.74 120.74 2k8m s LYS 105 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 55.97 55.40 2k8m s LYS 105 Cb -0.04 -1.10 0.02 0.00 0.00 0.00 0.00 37.83 36.71 2k8m s LYS 105 CO 0.00 0.30 -0.03 0.54 0.00 0.00 0.00 175.35 176.16 2k8m s VAL 106 N -0.43 0.53 -0.44 1.79 0.11 -1.14 -5.05 120.40 115.76 2k8m s VAL 106 Ca 0.05 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2k8m s VAL 106 Cb -0.06 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2k8m s VAL 106 CO -0.00 0.25 1.62 -2.16 -3.33 0.00 0.00 175.10 171.48 2k8m s PRO 107 N 1.38 3.30 0.47 1.54 0.04 -1.26 -3.85 135.00 136.61 2k8m s PRO 107 Ca -0.04 0.97 0.32 0.00 0.04 0.00 0.00 61.00 62.29 2k8m s PRO 107 Cb -0.13 -4.16 1.42 0.00 0.04 0.00 0.00 34.50 31.67 2k8m s PRO 107 CO -0.03 -1.91 1.94 0.52 0.04 0.00 0.00 177.00 177.56 2k8m h MET 108 N 12.18 0.00 0.00 4.56 2.86 -1.81 -1.49 114.93 131.23 2k8m h MET 108 Ca -0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2k8m h MET 108 Cb 1.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2k8m h MET 108 CO 1.10 0.00 -0.05 -0.97 1.06 0.00 0.00 176.91 178.05 2k8m h ASN 109 N 0.00 0.00 0.33 1.22 -1.24 -1.82 -2.67 115.58 111.40 2k8m h ASN 109 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k8m h ASN 109 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 2k8m h ASN 109 CO 0.00 0.05 -1.62 0.41 -1.29 0.00 0.00 177.43 174.98 2k8m n THR 110 N -3.16 0.20 -3.55 -3.57 -1.04 -0.59 -4.74 114.28 97.84 2k8m n THR 110 Ca 0.01 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 2k8m n THR 110 Cb 0.36 -0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 68.72 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -3.44 4.29 0.56 12.58 1.01 -1.01 -5.07 120.40 129.32 2k8m s VAL 111 Ca -0.05 -2.03 -0.18 0.00 0.00 0.00 0.00 61.98 59.73 2k8m s VAL 111 Cb 0.13 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2k8m s VAL 111 CO 0.87 -0.82 1.09 1.51 0.00 0.00 0.00 175.10 177.74 2k8m s ASP 112 N 2.34 5.78 -1.39 3.32 -4.77 -1.26 -4.80 116.67 115.89 2k8m s ASP 112 Ca 0.09 2.00 -0.10 0.00 -3.30 0.00 0.00 52.55 51.23 2k8m s ASP 112 Cb -0.24 -2.56 0.09 0.00 -1.09 0.00 0.00 42.92 39.12 2k8m s ASP 112 CO -0.02 -1.17 2.20 2.22 0.70 0.00 0.00 175.17 179.10 2k8m n PHE 113 N -1.59 3.01 0.34 2.11 1.16 -1.26 -4.73 117.46 116.50 2k8m n PHE 113 Ca 0.10 -2.89 -0.16 0.00 -1.87 0.00 0.00 57.45 52.63 2k8m n PHE 113 Cb 0.52 -2.20 -0.08 0.00 -1.61 0.00 0.00 39.48 36.11 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k8m h GLY 114 N 8.14 -0.89 0.00 4.97 0.00 -2.01 -3.48 103.07 109.80 2k8m h GLY 114 Ca 0.55 0.33 0.00 0.00 0.00 0.00 0.00 47.33 48.22 2k8m h GLY 114 CO 1.71 -0.33 0.00 1.42 0.00 0.00 0.00 176.54 179.35 2k8m n HIS 115 N -5.40 -1.36 -3.92 5.60 8.25 -1.26 -5.11 115.22 112.02 2k8m n HIS 115 Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.23 2k8m n HIS 115 Cb 0.36 0.35 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N -0.70 0.07 -0.73 1.59 -7.23 -1.26 -3.80 120.40 108.34 2k8m s VAL 116 Ca 0.00 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2k8m s VAL 116 Cb 0.00 -0.23 0.18 0.00 0.56 0.00 0.00 36.38 36.89 2k8m s VAL 116 CO 0.00 -0.32 0.56 -0.89 -0.31 0.00 0.00 175.10 174.14 2k8m s THR 117 N -0.97 3.72 -0.39 5.32 2.01 0.11 -4.93 115.64 120.50 2k8m s THR 117 Ca -0.11 -3.55 -0.14 0.00 0.31 0.00 0.00 61.69 58.20 2k8m s THR 117 Cb -0.06 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2k8m s THR 117 CO -0.00 -0.97 0.28 -1.61 -0.69 0.00 0.00 174.62 171.63 2k8m s GLU 118 N -0.79 3.07 0.35 4.92 2.02 -1.26 -1.09 118.70 125.92 2k8m s GLU 118 Ca 0.22 -0.95 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 2k8m s GLU 118 Cb -0.13 -3.94 0.03 0.00 0.10 0.00 0.00 34.13 30.19 2k8m s GLU 118 CO -0.08 -0.69 0.69 -1.83 0.02 0.00 0.00 175.26 173.36 2k8m s GLU 119 N 1.68 2.06 -0.42 1.61 -1.05 -1.10 -5.04 118.70 116.44 2k8m s GLU 119 Ca 0.05 -1.44 -0.10 0.00 -0.15 0.00 0.00 54.97 53.33 2k8m s GLU 119 Cb -0.19 0.57 0.07 0.00 -0.44 0.00 0.00 34.13 34.15 2k8m s GLU 119 CO 0.10 -0.93 0.27 -1.58 0.95 0.00 0.00 175.26 174.07 2k8m s TRP 120 N -2.81 3.32 0.12 4.83 0.52 -1.26 -3.01 118.94 120.65 2k8m s TRP 120 Ca 0.19 -1.42 -0.29 0.00 0.02 0.00 0.00 56.10 54.60 2k8m s TRP 120 Cb -0.04 -2.93 -0.06 0.00 -1.15 0.00 0.00 33.47 29.29 2k8m s TRP 120 CO 0.13 -0.82 0.91 0.50 0.02 0.00 0.00 176.95 177.68 2k8m s ARG 121 N 1.46 4.68 0.06 4.98 6.06 0.06 -4.89 118.95 131.36 2k8m s ARG 121 Ca 0.03 1.37 -0.29 0.00 -2.50 0.00 0.00 55.73 54.34 2k8m s ARG 121 Cb -0.23 -3.35 -0.05 0.00 0.06 0.00 0.00 34.95 31.38 2k8m s ARG 121 CO 0.03 0.29 0.94 0.16 -2.50 0.00 0.00 175.30 174.22 2k8m s ASP 122 N -0.25 7.41 0.01 -2.12 -4.77 -1.26 -0.29 116.67 115.41 2k8m s ASP 122 Ca 0.44 1.70 -0.03 0.00 -3.30 0.00 0.00 52.55 51.36 2k8m s ASP 122 Cb -0.23 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 38.99 2k8m s ASP 122 CO 0.29 -0.12 0.20 -0.76 0.70 0.00 0.00 175.17 175.48 2k8m s LEU 123 N 0.34 4.37 -0.01 2.11 1.43 -0.30 -4.84 118.68 121.78 2k8m s LEU 123 Ca 0.47 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2k8m s LEU 123 Cb -0.22 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2k8m s LEU 123 CO 0.28 0.24 -0.03 0.00 0.23 0.00 0.00 176.35 177.07 2k8m s GLN 124 N -2.07 0.26 -1.11 1.70 -2.07 -1.04 -3.64 119.66 111.70 2k8m s GLN 124 Ca 0.29 -0.08 -0.19 0.00 -1.82 0.00 0.00 55.36 53.57 2k8m s GLN 124 Cb -0.13 -0.29 0.10 0.00 -1.09 0.00 0.00 33.01 31.61 2k8m s GLN 124 CO 0.21 0.03 1.43 -1.54 -1.32 0.00 0.00 175.29 174.10 2k8m s SER 125 N 0.12 6.74 -0.27 12.60 1.04 -1.26 -0.81 113.70 131.86 2k8m s SER 125 Ca -0.01 -2.18 -0.15 0.00 0.48 0.00 0.00 55.95 54.09 2k8m s SER 125 Cb -0.03 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2k8m s SER 125 CO -0.00 -1.15 0.38 0.00 0.98 0.00 0.00 173.24 173.45 2k8m s ALA 126 N 3.47 3.57 0.33 5.32 0.00 -1.26 -4.78 121.76 128.41 2k8m s ALA 126 Ca 0.44 -0.80 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 2k8m s ALA 126 Cb -0.01 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.29 2k8m s ALA 126 CO -0.03 -0.66 0.87 -1.21 0.00 0.00 0.00 175.76 174.73 2k8m s GLU 127 N 2.08 4.34 0.00 0.00 2.02 -1.26 -4.59 118.70 121.28 2k8m s GLU 127 Ca 0.15 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.23 2k8m s GLU 127 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2k8m s GLU 127 CO 0.10 0.20 0.50 1.63 0.02 0.00 0.00 175.26 177.70